4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(2-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C30H26BrN3O4 MolecularWeight: 572.44914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CC=C5OC)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CC=C5OC)C(=O)CCC(=O)O

InChI

InChI=1S/C30H26BrN3O4/c1-18-29(30(19-8-4-3-5-9-19)22-16-20(31)12-13-23(22)32-18)24-17-25(21-10-6-7-11-26(21)38-2)34(33-24)27(35)14-15-28(36)37/h3-13,16,25H,14-15,17H2,1-2H3,(H,36,37)